1-ethyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine

C11H16N6 — CID 25248659

IUPAC1-ethyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine
SMILESCCn1cc(N)c(-c2nnc3n2CCCC3)n1
InChIInChI=1S/C11H16N6/c1-2-16-7-8(12)10(15-16)11-14-13-9-5-3-4-6-17(9)11/h7H,2-6,12H2,1H3
InChIKeyMSUAGIOTZJSSBD-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.08
Rot. Bonds2

About 1-ethyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine

1-ethyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine (PubChem CID 25248659) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-ethyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine
PubChem CID25248659
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name1-ethyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine
SMILESCCn1cc(N)c(-c2nnc3n2CCCC3)n1
InChIInChI=1S/C11H16N6/c1-2-16-7-8(12)10(15-16)11-14-13-9-5-3-4-6-17(9)11/h7H,2-6,12H2,1H3
InChIKeyMSUAGIOTZJSSBD-UHFFFAOYSA-N
XLogP1.08
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine?
The IUPAC name of 1-ethyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine (CID 25248659) is 1-ethyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine?
The canonical SMILES for 1-ethyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine is CCn1cc(N)c(-c2nnc3n2CCCC3)n1.
What is the InChIKey of 1-ethyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine?
The InChIKey is MSUAGIOTZJSSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-2-16-7-8(12)10(15-16)11-14-13-9-5-3-4-6-17(9)11/h7H,2-6,12H2,1H3.
What are the key properties of 1-ethyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine?
1-ethyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine has a molecular weight of 232.29 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazol-4-amine is sourced from PubChem (CID 25248659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).